Geometry & MOs

Info

ID:

14414

PubChem CID:

410936

Reduced:

ClO5C18H18 (1)

Stoich.:

AB5C18D18 (1)

Weight, g/mol:

349.084276

ΔHf, kcal/mol:

-64.56

Dipole, Da:

2.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.852905

Charge, e:

 1

Chem-info

IUPAC name:

2-methyl-4,6-diphenylpyrylium;trihydroxy(oxo)-lambda5-chlorane

Drug info:

PubChemData

Smile

CC1=CC(=CC(=[O+]1)C2=CC=CC=C2)C3=CC=CC=C3.OCl(=O)(O)O

DOS

IR

Vibrations